N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine

C10H19NO2 — CID 15342646

IUPACN-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO2/c1-2-11-9-3-5-10(6-4-9)12-7-8-13-10/h9,11H,2-8H2,1H3
InChIKeyPMNHUYFEGNBLIM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine

N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 15342646) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID15342646
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-ethyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H19NO2/c1-2-11-9-3-5-10(6-4-9)12-7-8-13-10/h9,11H,2-8H2,1H3
InChIKeyPMNHUYFEGNBLIM-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 15342646) is N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is CCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is PMNHUYFEGNBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-11-9-3-5-10(6-4-9)12-7-8-13-10/h9,11H,2-8H2,1H3.
What are the key properties of N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine?
N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 15342646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).